tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate

C19H24N2O3S — CID 118117225

IUPACtert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)24-18(22)21-8-9-23-13-16(21)12-14-5-4-6-15(11-14)17-20-7-10-25-17/h4-7,10-11,16H,8-9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyIJEMXCXOYOEOHM-MRXNPFEDSA-N
MW360.48 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate

tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate (PubChem CID 118117225) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate
PubChem CID118117225
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Nametert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)24-18(22)21-8-9-23-13-16(21)12-14-5-4-6-15(11-14)17-20-7-10-25-17/h4-7,10-11,16H,8-9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyIJEMXCXOYOEOHM-MRXNPFEDSA-N
XLogP3.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate (CID 118117225) is tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1Cc1cccc(-c2nccs2)c1.
What is the InChIKey of tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate?
The InChIKey is IJEMXCXOYOEOHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)24-18(22)21-8-9-23-13-16(21)12-14-5-4-6-15(11-14)17-20-7-10-25-17/h4-7,10-11,16H,8-9,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate?
tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate has a molecular weight of 360.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 118117225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).